Information card for entry 1553291

Structure parameters

• Formula: C23 H26 O7
• Calculated formula: C23 H26 O7
• SMILES: O1[C@@H](OC)[C@@H]([C@H]2[C@H]3[C@@H]1c1c4c(OC)cc(C(=O)O)c(O)c4ccc1O[C@]3(CC2)C)C
• Title of publication: Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei.
• Authors of publication: Abdissa, Negera; Pan, Fangfang; Gruhonjic, Amra; Gräfenstein, Jürgen; Fitzpatrick, Paul A.; Landberg, Göran; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 2181 - 2187
• a: 9.1399 ± 0.0002 Å
• b: 11.2214 ± 0.0003 Å
• c: 19.328 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1982.33 ± 0.09 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No